CID 3033878

Dimethyldicyclopentadiene

Structural Information

Molecular Formula
C12H16
SMILES
CC1C2C3CC(C2C=C1C)C=C3
InChI
InChI=1S/C12H16/c1-7-5-11-9-3-4-10(6-9)12(11)8(7)2/h3-5,8-12H,6H2,1-2H3
InChIKey
GUOAPVPPPVLIQQ-UHFFFAOYSA-N
Compound name
4,5-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

917
Patents

160.1252 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.13248 139.2
[M+Na]+ 183.11442 148.9
[M-H]- 159.11792 144.0
[M+NH4]+ 178.15902 168.6
[M+K]+ 199.08836 145.7
[M+H-H2O]+ 143.12246 136.2
[M+HCOO]- 205.12340 161.6
[M+CH3COO]- 219.13905 154.0
[M+Na-2H]- 181.09987 140.9
[M]+ 160.12465 140.3
[M]- 160.12575 140.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe